4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C25H27NO5 — CID 23859463

IUPAC4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(c2ccc(OC)cc2OC)C2=C1CCCC2=O
InChIInChI=1S/C25H27NO5/c1-4-31-22-11-6-5-8-19(22)26-20-9-7-10-21(27)25(20)18(15-24(26)28)17-13-12-16(29-2)14-23(17)30-3/h5-6,8,11-14,18H,4,7,9-10,15H2,1-3H3
InChIKeyJBWALCGCLOJAPH-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.63
Rot. Bonds6

About 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23859463) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23859463
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCCOc1ccccc1N1C(=O)CC(c2ccc(OC)cc2OC)C2=C1CCCC2=O
InChIInChI=1S/C25H27NO5/c1-4-31-22-11-6-5-8-19(22)26-20-9-7-10-21(27)25(20)18(15-24(26)28)17-13-12-16(29-2)14-23(17)30-3/h5-6,8,11-14,18H,4,7,9-10,15H2,1-3H3
InChIKeyJBWALCGCLOJAPH-UHFFFAOYSA-N
XLogP4.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

(4S)-4-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 7426511
4-(2,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496703
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
1-(2-ethylphenyl)-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496698
4-(2,5-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887260
4-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzenesulfonamide
CID 25039684
1-(2,5-dimethylphenyl)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23802309
1-(2,5-dimethoxyphenyl)-4-(2-ethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23744036
2-[4-(2,4-dimethoxyphenyl)-2,5-dioxo-4,6,7,8-tetrahydro-3H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 5295290
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915295
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2,6-dichlorophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23999014

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23859463) is 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is CCOc1ccccc1N1C(=O)CC(c2ccc(OC)cc2OC)C2=C1CCCC2=O.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is JBWALCGCLOJAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-4-31-22-11-6-5-8-19(22)26-20-9-7-10-21(27)25(20)18(15-24(26)28)17-13-12-16(29-2)14-23(17)30-3/h5-6,8,11-14,18H,4,7,9-10,15H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 421.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-1-(2-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23859463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).